Molecule structure of d-Dioxadrol hydrochloride (CAS NO.631-06-1):
IUPAC Name: 2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride
Molecular Weight: 345.86306 g/mol
Molecular Formula: C20H24ClNO2
Boiling Point: 441.9 °C at 760 mmHg
Flash Point: 187.1 °C
Enthalpy of Vaporization: 69.92 kJ/mol
Vapour Pressure: 5.26E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 345.149557
MonoIsotopic Mass: 345.149557
Topological Polar Surface Area: 30.5
Heavy Atom Count: 24
Complexity: 356
Canonical SMILES: C1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI: InChI=1S/C20H23NO2.ClH/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18;/h1-6,9-12,18-19,21H,7-8,13-15H2;1H
InChIKey: GYPWNVSWCIMIHQ-UHFFFAOYSA-N
Classification Code of d-Dioxadrol hydrochloride (CAS NO.631-06-1): Analgesic; Human Data; Stimulant [central]
1. | orl-hmn TDLo:400 µg/kg:CNS | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 118 (1965),352. | ||
2. | orl-rat LD50:280 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105. | ||
3. | orl-mus LD50:380 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105. | ||
4. | ivn-rbt LD50:33 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105. |
Poison by ingestion and intravenous routes. Human systemic effects by ingestion: somnolence, hallucinations or distorted perceptions, and analgesia. When heated to decomposition it emits very toxic fumes of HCl and NOx.
d-Dioxadrol hydrochloride (CAS NO.631-06-1) is also named as (+)-2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride ; CL 911 C ; CL-911C ; Dexoxadrol HCl ; Dexoxadrol hydrochloride ; NSC 526062 ; NSC-526062 ; Relane ; U 22558 A ; U-22,559A ; UNII-T0C1IR71L8 ; d-2,2-Diphenyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride ; d-2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride ; Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride ; Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride, d- .
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